5-Acetyl-5-methyl-1,3-dioxane
TL;DR: 5-Acetyl-5-methyl-1,3-dioxane (CAS 3495-19-0) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-1,3-dioxan-5-yl)ethanone
Also Known As: 5-acetyl-5-methyl-1,3-dioxane, 1-(5-methyl-1,3-dioxan-5-yl)ethanone, 5-Methyl-5-acetyl-1,3-dioxane, 5-acetyl-5-methyl-1,3-dioxacyclohexane, 1-(5-METHYL-1,3-DIOXAN-5-YL)ETHAN-1-ONE
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.586 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 135.78665 |
Chemical Identifiers
| CAS Number | 3495-19-0 |
|---|---|
| SMILES | CC(=O)C1(COCOC1)C |
Product Overview
5-Acetyl-5-methyl-1,3-dioxane (CAS 3495-19-0), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 1-(5-methyl-1,3-dioxan-5-yl)ethanone.
Chemical Property Profile of 5-Acetyl-5-methyl-1,3-dioxane
Property Insights of 5-Acetyl-5-methyl-1,3-dioxane
The XLogP value of 0.586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-5-methyl-1,3-dioxane. With a topological polar surface area (TPSA) of 35.53 Ų, 5-Acetyl-5-methyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-5-methyl-1,3-dioxane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Acetyl-5-methyl-1,3-dioxane?
The CAS number of 5-Acetyl-5-methyl-1,3-dioxane is 3495-19-0.
What is the molecular formula of 5-Acetyl-5-methyl-1,3-dioxane?
The molecular formula of 5-Acetyl-5-methyl-1,3-dioxane is C7H12O3.
What is the molecular weight of 5-Acetyl-5-methyl-1,3-dioxane?
The molecular weight of 5-Acetyl-5-methyl-1,3-dioxane is 144.08 g/mol.
Where can I buy 5-Acetyl-5-methyl-1,3-dioxane?
You can request a quote for 5-Acetyl-5-methyl-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-5-methyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-5-methyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.